Compound Detail
CHEMBL5932436
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C[C@H]1CN(C(=O)CC[C@@]2(C3CC3)NC(=O)NC2=O)CCN1c1cc(Cl)cc(Cl)c1
Basic Information
| ChEMBL ID | CHEMBL5932436 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BTEUURMBUUDUGB-YUNKPMOVSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
439.3
MW (Da)
2.80
ALogP
4
HBA
2
HBD
81.8
PSA (Ų)
0.69
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.96 | 7.96 | 11.0 | 1 |
| A disintegrin and metalloproteinase with thrombospondin motifs 5 CHEMBL2285 | IC50 | 7.8 | 7.8 | 16.0 | 1 |
| Disintegrin and metalloproteinase domain-containing protein 17 CHEMBL3706 | IC50 | 5.41 | 5.41 | 3870.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 11.0 | nM | 7.96 | In Vitro Assay: ADAMTS-4:The basis for the assay is the cleavage of the substrat... | - |
| A disintegrin and metalloproteinase with thrombospondin motifs 5 | IC50 | = | 16.0 | nM | 7.8 | In Vitro Assay: ADAMTS-5:Protocol 2: The basis for the assay is the cleavage of ... | - |
| Disintegrin and metalloproteinase domain-containing protein 17 | IC50 | = | 3870.0 | nM | 5.41 | In Vitro Assay: TACE:The basis for the assay is the cleavage of the substrate 5F... | - |
Data from ChEMBL 36 via Core Engine